2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide

C15H16N4O2 — CID 114325839

IUPAC2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccn1
InChIInChI=1S/C15H16N4O2/c16-9-13-8-11(5-6-18-13)15(21)19-12-3-1-10(2-4-12)7-14(17)20/h1-6,8H,7,9,16H2,(H2,17,20)(H,19,21)
InChIKeySSWMFDAHIVSURC-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide (PubChem CID 114325839) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
PubChem CID114325839
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccn1
InChIInChI=1S/C15H16N4O2/c16-9-13-8-11(5-6-18-13)15(21)19-12-3-1-10(2-4-12)7-14(17)20/h1-6,8H,7,9,16H2,(H2,17,20)(H,19,21)
InChIKeySSWMFDAHIVSURC-UHFFFAOYSA-N
XLogP0.82
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
N-[4-(2-amino-2-oxoethyl)phenyl]-3-(pyrimidin-2-ylamino)benzamide
CID 31861938
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483
2-(aminomethyl)-N-(thiatriazol-5-yl)pyridine-4-carboxamide
CID 114912577
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide (CID 114325839) is 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide is NCc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is SSWMFDAHIVSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-9-13-8-11(5-6-18-13)15(21)19-12-3-1-10(2-4-12)7-14(17)20/h1-6,8H,7,9,16H2,(H2,17,20)(H,19,21).
What are the key properties of 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 114325839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).